CID 146990

N-butyl-n-nitrosoaniline

Structural Information

Molecular Formula
C10H14N2O
SMILES
CCCCN(C1=CC=CC=C1)N=O
InChI
InChI=1S/C10H14N2O/c1-2-3-9-12(11-13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey
VVVZFXFSDLELTI-UHFFFAOYSA-N
Compound name
N-butyl-N-phenylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

178.11061 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 138.2
[M+Na]+ 201.09983 144.2
[M-H]- 177.10333 144.3
[M+NH4]+ 196.14443 158.8
[M+K]+ 217.07377 144.2
[M+H-H2O]+ 161.10787 130.9
[M+HCOO]- 223.10881 166.9
[M+CH3COO]- 237.12446 191.4
[M+Na-2H]- 199.08528 146.1
[M]+ 178.11006 140.8
[M]- 178.11116 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.